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	hartrees
Energy at 0K	-2703.667013
Energy at 298.15K	-2703.669371
HF Energy	-2703.667013
Nuclear repulsion energy	452.002646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3819	3654	36.19
2	A	1100	1053	75.46
3	A	950	909	60.18
4	A	671	642	73.34
5	A	358	342	93.23
6	A	327	313	5.27
7	A	256	245	0.78
8	A	189	181	80.77
9	B	3816	3650	230.17
10	B	1140	1091	108.87
11	B	1024	980	90.93
12	B	681	652	153.40
13	B	359	343	80.77
14	B	334	319	41.92
15	B	279	267	38.73

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.135
O2	0.000	1.427	0.847
O3	0.000	-1.427	0.847
O4	1.352	0.014	-0.995
O5	-1.352	-0.014	-0.995
H6	1.612	-0.909	-1.118
H7	-1.612	0.909	-1.118

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5947	1.5947	1.7623	1.7623	2.2347	2.2347
O2	1.5947		2.8539	2.6865	2.7013	3.4519	2.5936
O3	1.5947	2.8539		2.7013	2.6865	2.5936	3.4519
O4	1.7623	2.6865	2.7013		2.7049	0.9667	3.0987
O5	1.7623	2.7013	2.6865	2.7049		3.0987	0.9667
H6	2.2347	3.4519	2.5936	0.9667	3.0987		3.7007
H7	2.2347	2.5936	3.4519	3.0987	0.9667	3.7007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	106.258	Se1	O5	H7	106.258
O2	Se1	O3	126.970	O2	Se1	O4	106.208
O2	Se1	O5	107.055	O3	Se1	O4	107.055
O3	Se1	O5	106.208	O4	Se1	O5	100.252

All results from a given calculation for H₂SeO₄ (Selenic acid)

using model chemistry: mPW1PW91/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Se	1.212
2	O	-0.476
3	O	-0.476
4	O	-0.426
5	O	-0.426
6	H	0.296
7	H	0.296

	x	y	z	Total
	0.000	0.000	-2.466	2.466
CHELPG
AIM
ESP

	x	y	z
x	5.006	-0.340	0.000
y	-0.340	5.789	0.000
z	0.000	0.000	4.891

<r²>	124.306
(<r²>)^1/2	11.149

All results from a given calculation for H2SeO4 (Selenic acid)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for H₂SeO₄ (Selenic acid)